Bandyopadhyay Soumyendu Sekhar, Halder Anup Kumar, Saha Sovan, Chatterjee Piyali, Nasipuri Mita, Basu Subhadip
Department of Computer Science and Engineering, Jadavpur University, Kolkata 700032, India.
Department of Computer Science and Engineering, School of Engineering and Technology, Adamas University, Kolkata 700126, India.
Vaccines (Basel). 2023 Feb 25;11(3):549. doi: 10.3390/vaccines11030549.
SARS-CoV-2 is a novel coronavirus that replicates itself via interacting with the host proteins. As a result, identifying virus and host protein-protein interactions could help researchers better understand the virus disease transmission behavior and identify possible COVID-19 drugs. The International Committee on Virus Taxonomy has determined that nCoV is genetically 89% compared to the SARS-CoV epidemic in 2003. This paper focuses on assessing the host-pathogen protein interaction affinity of the coronavirus family, having 44 different variants. In light of these considerations, a GO-semantic scoring function is provided based on Gene Ontology (GO) graphs for determining the binding affinity of any two proteins at the organism level. Based on the availability of the GO annotation of the proteins, 11 viral variants, , SARS-CoV-2, SARS, MERS, HKU3, Rp3/2004, HKU5, , , Rat coronavirus, HKU4, 133/2005, are considered from 44 viral variants. The fuzzy scoring function of the entire host-pathogen network has been processed with ~180 million potential interactions generated from 19,281 host proteins and around 242 viral proteins. ~4.5 million potential level one host-pathogen interactions are computed based on the estimated interaction affinity threshold. The resulting host-pathogen interactome is also validated with experimental networks. The study has also been extended further toward the drug-repurposing study by analyzing the FDA-listed COVID drugs.
严重急性呼吸综合征冠状病毒2(SARS-CoV-2)是一种新型冠状病毒,它通过与宿主蛋白相互作用进行自我复制。因此,识别病毒与宿主的蛋白质-蛋白质相互作用有助于研究人员更好地理解病毒疾病的传播行为,并确定可能的新冠肺炎药物。国际病毒分类委员会已确定,新型冠状病毒(nCoV)与2003年的SARS-CoV疫情在基因上有89%的相似度。本文重点评估了具有44种不同变体的冠状病毒家族的宿主-病原体蛋白相互作用亲和力。鉴于这些考虑因素,基于基因本体(GO)图提供了一种GO语义评分函数,用于在生物体水平上确定任意两种蛋白质的结合亲和力。根据蛋白质的GO注释可用性,从44种病毒变体中选取了11种病毒变体,即SARS-CoV-2、SARS、中东呼吸综合征冠状病毒(MERS)、香港大学3型冠状病毒(HKU3)、Rp3/2004、香港大学5型冠状病毒(HKU5)、大鼠冠状病毒、香港大学4型冠状病毒(HKU4)、133/2005。整个宿主-病原体网络的模糊评分函数已针对由19281种宿主蛋白和大约242种病毒蛋白产生的约1.8亿种潜在相互作用进行了处理。基于估计的相互作用亲和力阈值计算出约450万种潜在一级宿主-病原体相互作用。所得的宿主-病原体相互作用组也通过实验网络进行了验证。该研究还通过分析美国食品药品监督管理局(FDA)列出的新冠肺炎药物,进一步扩展到药物再利用研究。